cyanic acid;N,N-diethylethanamine

C7H16N2O — CID 14848642

IUPACcyanic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.N#CO
InChIInChI=1S/C6H15N.CHNO/c1-4-7(5-2)6-3;2-1-3/h4-6H2,1-3H3;3H
InChIKeyTYAQNGCKFDJESH-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.19
Rot. Bonds3

About cyanic acid;N,N-diethylethanamine

cyanic acid;N,N-diethylethanamine (PubChem CID 14848642) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is cyanic acid;N,N-diethylethanamine.

Molecular Properties

Compound Namecyanic acid;N,N-diethylethanamine
PubChem CID14848642
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Namecyanic acid;N,N-diethylethanamine
SMILESCCN(CC)CC.N#CO
InChIInChI=1S/C6H15N.CHNO/c1-4-7(5-2)6-3;2-1-3/h4-6H2,1-3H3;3H
InChIKeyTYAQNGCKFDJESH-UHFFFAOYSA-N
XLogP1.19
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

bis(N,N-diethylethanamine);dihydrate
CID 173331052
CID 13466318
CID 13466318
N,N-diethylethanamine;hydrate;trihydrofluoride
CID 172684956
N,N-diethylethanamine;ethane
CID 22114990
acetonitrile;cyclohexane;N,N-diethylethanamine
CID 23094312
N,N-diethylethanamine;hypofluorous acid
CID 157218487
N,N-diethylethanamine;hypochlorous acid
CID 87187871
acetic acid;acetonitrile;N,N-diethylethanamine;methanol
CID 159632516
N,N-diethylethanamine chloride
CID 22292735
CID 175820473
CID 175820473
N,N-diethylethanamine;palladium(2+)
CID 22219787
N,N-diethylethanamine;zinc;dihydrochloride
CID 175296051

Frequently Asked Questions

What is the IUPAC name of cyanic acid;N,N-diethylethanamine?
The IUPAC name of cyanic acid;N,N-diethylethanamine (CID 14848642) is cyanic acid;N,N-diethylethanamine.
What is the SMILES notation for cyanic acid;N,N-diethylethanamine?
The canonical SMILES for cyanic acid;N,N-diethylethanamine is CCN(CC)CC.N#CO.
What is the InChIKey of cyanic acid;N,N-diethylethanamine?
The InChIKey is TYAQNGCKFDJESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.CHNO/c1-4-7(5-2)6-3;2-1-3/h4-6H2,1-3H3;3H.
What are the key properties of cyanic acid;N,N-diethylethanamine?
cyanic acid;N,N-diethylethanamine has a molecular weight of 144.22 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanic acid;N,N-diethylethanamine is sourced from PubChem (CID 14848642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).